Molecule

ID:121490

General Information
Structure
MolImage
Molecular Formula
C₂H₇ClN₆
Molecular Mass
150.57018
Exact Mass
150.04207193
Charge
0
InChI
InChI=1S/C2H6N6.ClH/c3-6-2-7-5-1-8(2)4;/h1H,3-4H2,(H,6,7);1H
InChIKey
QSNKDYVIRQPVMY-UHFFFAOYSA-N
Canonic Smiles
NNc1nncn1N.Cl
Isomeric Smiles
c1(n(cnn1)N)NN.Cl
Calculated Properties
JChem
Acid pKa
17.501572
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.0087337
LogD (pH = 7.4)
-1.9974388
Log P
-1.9953823
Molar Refractivity
34.3038
Polarizability
10.073412
Polar Surface Area
94.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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